(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide

C14H18FNO2 — CID 64557756

IUPAC(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(CO)NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-3-14(2,10-17)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-9,17H,3,10H2,1-2H3,(H,16,18)/b9-8+
InChIKeyRZTUHZSAVFISRA-CMDGGOBGSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide

(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide (PubChem CID 64557756) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
PubChem CID64557756
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(CO)NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-3-14(2,10-17)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-9,17H,3,10H2,1-2H3,(H,16,18)/b9-8+
InChIKeyRZTUHZSAVFISRA-CMDGGOBGSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide (CID 64557756) is (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide is CCC(C)(CO)NC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is RZTUHZSAVFISRA-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-14(2,10-17)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-9,17H,3,10H2,1-2H3,(H,16,18)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 251.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 64557756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).